==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 19-APR-95 182L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.MORTON,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 0 1 2 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.0 43.4 -1.9 9.2 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 95,-0.0 3,-0.2 -0.937 360.0 -81.1-158.2 172.9 40.2 -0.8 10.9 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.805 123.8 52.6 -51.7 -39.8 38.1 2.4 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 112.9 41.9 -67.5 -44.1 40.2 3.6 14.2 5 5 A E H > S+ 0 0 97 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.869 113.8 54.0 -68.9 -36.1 43.5 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.968 113.0 41.5 -63.4 -50.7 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.861 109.7 58.1 -65.0 -34.5 40.6 7.8 11.0 8 8 A R H X S+ 0 0 97 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.897 109.4 46.9 -62.2 -35.7 43.8 8.3 13.0 9 9 A I H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.934 115.7 44.0 -70.3 -45.7 45.6 8.5 9.7 10 10 A D H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.815 124.7 31.7 -71.6 -28.0 43.1 10.9 8.2 11 11 A E H < S- 0 0 42 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.667 90.3-151.3-104.7 -21.9 42.8 13.2 11.2 12 12 A G < - 0 0 24 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.239 25.8 -88.1 76.4-172.2 46.2 13.1 12.9 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.965 42.8 173.6-142.1 121.6 46.6 13.7 16.6 14 14 A R E -A 28 0A 136 14,-1.6 14,-2.5 -2,-0.4 4,-0.1 -0.999 17.9-164.8-131.7 128.6 47.0 17.1 18.3 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.392 73.6 62.9 -93.0 2.3 47.1 17.7 22.0 16 16 A K E S-C 57 0B 89 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.930 101.4 -87.4-126.0 143.8 46.6 21.4 21.9 17 17 A I E + 0 0 18 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.259 58.8 169.7 -48.7 133.5 43.6 23.3 20.5 18 18 A Y E -A 26 0A 29 8,-3.2 8,-3.2 -4,-0.1 2,-0.5 -0.919 35.6-104.9-140.4 169.2 44.1 23.8 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.848 34.1-138.7-100.1 135.8 42.0 25.0 13.8 20 20 A D > - 0 0 49 4,-2.8 3,-2.2 -2,-0.5 -1,-0.1 -0.044 41.2 -77.7 -76.6-170.8 40.8 22.4 11.3 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.710 135.7 48.9 -64.4 -19.5 40.8 22.7 7.6 22 22 A E T 3 S- 0 0 82 2,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.400 122.8-106.0 -96.6 0.3 37.7 24.8 7.9 23 23 A G S < S+ 0 0 37 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.650 74.5 139.0 84.5 19.7 39.2 27.1 10.5 24 24 A Y - 0 0 72 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.832 61.2-100.8-102.8 142.8 37.2 25.6 13.4 25 25 A Y E +AB 19 34A 37 9,-0.6 8,-3.1 11,-0.5 9,-1.4 -0.360 54.4 159.2 -63.0 125.8 38.7 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-3.2 6,-0.3 2,-0.3 -0.843 19.0-167.3-138.1 168.4 39.4 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.1 -2,-0.3 2,-0.2 -0.979 51.4 3.5-155.0 163.4 41.6 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.6 -2,-0.3 2,-0.9 -0.399 122.6 -4.7 70.6-132.0 42.8 15.5 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.669 127.6 -54.9-102.9 72.4 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.758 83.3 160.7 66.0 30.5 39.6 15.5 14.8 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.5 1,-0.0 -1,-0.2 -0.685 33.3-141.6 -86.9 107.0 37.3 16.3 17.7 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.363 20.1-177.5 -64.9 128.9 35.4 19.5 16.7 33 33 A L E - 0 0 14 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.894 58.6 -24.5 -94.1 -46.1 35.0 21.8 19.7 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.972 32.9-140.7-164.6 150.5 33.1 24.6 18.3 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.560 74.0 112.7 -89.4 -8.2 32.3 26.5 15.2 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.303 73.0-132.6 -65.2 144.4 32.4 29.7 17.2 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.520 76.7 100.2 -76.3 -6.1 35.2 32.0 16.4 38 38 A S > - 0 0 45 1,-0.1 4,-1.7 -13,-0.0 -2,-0.1 -0.750 58.2-157.3 -92.3 129.5 36.1 32.4 20.1 39 39 A L H > S+ 0 0 64 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.811 97.1 55.7 -68.2 -29.9 39.0 30.6 21.7 40 40 A N H > S+ 0 0 120 2,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.919 105.0 50.2 -69.4 -42.5 37.4 31.0 25.1 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 112.4 49.9 -60.4 -37.4 34.2 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.3 0.883 109.7 49.0 -68.4 -40.8 36.5 26.6 22.6 43 43 A K H X S+ 0 0 52 -4,-2.8 4,-2.2 1,-0.2 11,-0.2 0.869 110.9 51.3 -69.7 -29.7 38.3 26.3 25.9 44 44 A S H X S+ 0 0 78 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.909 110.1 48.0 -68.6 -45.9 35.0 26.1 27.7 45 45 A E H X S+ 0 0 71 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.900 111.2 53.4 -63.2 -40.4 33.7 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.948 108.6 46.7 -60.2 -47.9 37.0 21.6 25.9 47 47 A D H X>S+ 0 0 36 -4,-2.2 4,-2.6 1,-0.2 5,-1.4 0.896 111.8 52.1 -61.6 -37.9 36.8 21.6 29.7 48 48 A K H <5S+ 0 0 144 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.878 110.9 47.3 -65.9 -38.5 33.2 20.5 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.876 120.5 37.1 -74.2 -32.1 34.1 17.5 27.4 50 50 A I H <5S- 0 0 35 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.746 103.0-127.4 -91.6 -27.2 37.1 16.5 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.840 75.5 69.0 83.1 32.1 35.6 17.3 32.9 52 52 A R S - 0 0 9 -2,-0.9 3,-0.7 -11,-0.2 -1,-0.2 0.788 32.8-143.0 -89.4 -35.8 42.5 21.8 30.8 55 55 A N T 3 S- 0 0 115 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.785 72.5 -59.0 73.1 27.2 43.8 25.1 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.554 118.3 97.3 80.2 9.9 43.6 24.0 26.1 57 57 A V B < +C 16 0B 68 -3,-0.7 2,-0.3 -41,-0.2 -41,-0.2 -0.989 46.0 179.0-131.2 140.9 45.8 21.0 26.4 58 58 A I - 0 0 4 -43,-2.0 2,-0.1 -2,-0.4 -30,-0.1 -0.857 27.1-109.2-133.5 168.5 44.9 17.3 27.0 59 59 A T > - 0 0 65 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.498 33.3-104.5 -95.3 173.4 46.8 14.2 27.3 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.859 121.4 52.8 -59.8 -42.4 47.0 11.3 24.8 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 108.5 49.5 -61.4 -43.3 44.7 9.2 26.8 62 62 A E H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.898 110.7 51.6 -65.3 -37.3 42.0 12.0 27.0 63 63 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -34,-0.4 0.935 109.7 48.5 -60.6 -45.7 42.4 12.3 23.2 64 64 A E H X S+ 0 0 75 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.841 108.2 55.9 -68.8 -25.1 41.8 8.6 22.7 65 65 A K H X S+ 0 0 135 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.948 107.7 46.1 -72.7 -42.7 38.9 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.890 111.8 54.0 -61.0 -41.5 37.1 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.938 107.3 49.1 -61.1 -48.1 38.0 9.5 19.8 68 68 A N H X S+ 0 0 87 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.940 113.4 48.2 -56.5 -45.8 36.3 6.4 21.1 69 69 A Q H X S+ 0 0 96 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.914 111.6 48.8 -63.0 -41.4 33.3 8.4 22.0 70 70 A D H X S+ 0 0 39 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.845 110.9 49.2 -68.5 -35.2 33.2 10.0 18.7 71 71 A V H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.960 111.7 49.7 -66.0 -48.7 33.5 6.8 16.7 72 72 A D H X S+ 0 0 84 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.926 110.8 49.8 -54.8 -46.2 30.8 5.2 18.7 73 73 A A H X S+ 0 0 44 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.878 108.3 53.2 -64.8 -34.8 28.5 8.2 18.2 74 74 A A H X S+ 0 0 10 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.956 111.2 44.7 -64.2 -49.1 29.0 8.2 14.5 75 75 A V H X S+ 0 0 33 -4,-2.4 4,-2.4 1,-0.2 3,-0.4 0.949 114.1 49.0 -57.5 -53.3 28.1 4.6 14.1 76 76 A R H X S+ 0 0 123 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.880 109.8 53.9 -57.6 -35.5 25.1 5.0 16.4 77 77 A G H X S+ 0 0 3 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.871 106.7 50.1 -66.1 -39.1 24.0 8.0 14.4 78 78 A I H >< S+ 0 0 3 -4,-2.0 3,-1.2 -3,-0.4 7,-0.6 0.939 109.8 51.5 -63.0 -45.1 24.1 6.2 11.1 79 79 A L H 3< S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.704 110.5 49.5 -68.1 -18.2 22.0 3.3 12.6 80 80 A R H 3< S+ 0 0 180 -4,-1.1 2,-0.6 -5,-0.2 -1,-0.3 0.485 91.8 92.0 -94.8 -13.3 19.5 5.8 13.8 81 81 A N > S+ 0 0 9 -6,-0.2 4,-2.4 -7,-0.1 3,-0.9 0.896 100.9 69.1 -82.9 -46.3 21.5 6.1 6.1 85 85 A K H 3X S+ 0 0 82 -4,-2.7 4,-3.0 -7,-0.6 5,-0.3 0.852 96.7 51.4 -47.2 -47.1 20.9 2.9 7.8 86 86 A P H 3> S+ 0 0 59 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.874 112.6 47.5 -65.0 -32.0 19.7 0.9 4.9 87 87 A V H <> S+ 0 0 8 -3,-0.9 4,-0.8 -4,-0.4 3,-0.4 0.944 113.1 47.1 -69.3 -49.2 22.7 1.9 2.8 88 88 A Y H >< S+ 0 0 29 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.917 108.4 55.7 -58.1 -42.8 25.1 1.1 5.5 89 89 A D H 3< S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.843 104.7 55.8 -62.3 -27.2 23.4 -2.3 6.2 90 90 A S H 3< S+ 0 0 38 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.673 93.6 90.2 -77.9 -18.7 23.9 -3.1 2.5 91 91 A L S << S- 0 0 7 -3,-1.3 31,-0.0 -4,-0.8 2,-0.0 -0.473 75.6-116.7 -82.5 154.8 27.6 -2.5 2.6 92 92 A D > - 0 0 54 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.240 43.4 -93.3 -75.9 170.0 30.5 -4.9 3.3 93 93 A A H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.874 122.4 49.3 -56.3 -41.8 32.8 -4.3 6.3 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.961 113.0 46.7 -66.0 -46.6 35.5 -2.3 4.5 95 95 A R H > S+ 0 0 23 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.875 104.2 61.1 -66.4 -32.9 33.0 0.0 2.9 96 96 A R H X S+ 0 0 81 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.908 101.4 55.0 -58.9 -37.3 31.1 0.5 6.1 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.6 -3,-0.5 -1,-0.2 0.922 105.7 51.0 -61.4 -40.6 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.895 109.3 52.4 -62.2 -38.5 34.4 4.5 4.5 99 99 A A H X S+ 0 0 18 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.888 109.5 47.8 -65.3 -39.6 30.9 5.4 5.4 100 100 A I H X S+ 0 0 10 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.935 107.7 56.8 -67.5 -42.2 31.8 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.935 107.5 48.0 -53.1 -47.3 34.8 8.2 8.0 102 102 A M H X S+ 0 0 7 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.916 113.1 46.5 -64.1 -41.4 32.5 10.5 6.0 103 103 A V H X S+ 0 0 12 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.907 110.0 54.3 -68.3 -38.3 30.0 10.9 8.8 104 104 A F H < S+ 0 0 32 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.916 116.0 40.5 -61.1 -37.8 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 56 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.900 132.5 16.3 -76.8 -47.4 34.1 14.2 9.1 106 106 A M H X S- 0 0 45 -4,-2.7 4,-1.1 -5,-0.2 -3,-0.2 0.406 101.2-116.5-115.3 0.2 31.0 16.0 7.9 107 107 A G H X - 0 0 26 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.162 35.9 -77.5 78.7 155.2 28.2 14.9 10.1 108 108 A E H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.787 132.7 52.1 -62.0 -25.8 25.1 13.0 9.4 109 109 A T H > S+ 0 0 115 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.938 105.1 52.4 -74.5 -52.7 23.7 16.0 8.0 110 110 A G H >< S+ 0 0 31 -4,-1.1 3,-0.9 1,-0.2 -2,-0.2 0.909 115.5 42.7 -50.7 -45.3 26.5 16.7 5.7 111 111 A V H >< S+ 0 0 9 -4,-2.4 3,-2.5 1,-0.2 -1,-0.2 0.839 96.6 72.0 -72.1 -36.8 26.3 13.2 4.3 112 112 A A H 3< S+ 0 0 34 -4,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.695 90.6 66.4 -53.8 -17.3 22.6 13.1 4.1 113 113 A G T << S+ 0 0 66 -3,-0.9 -1,-0.3 -4,-0.7 3,-0.3 0.330 78.8 79.1 -85.9 2.2 23.1 15.5 1.1 114 114 A F <> + 0 0 32 -3,-2.5 4,-2.6 1,-0.2 3,-0.3 -0.135 55.8 145.1-101.0 38.4 24.9 12.9 -1.0 115 115 A T H > + 0 0 79 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.862 67.9 47.8 -46.0 -49.2 21.5 11.4 -1.9 116 116 A N H > S+ 0 0 101 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.905 113.0 47.4 -64.5 -40.2 22.5 10.4 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.897 108.6 56.0 -66.5 -40.0 25.8 8.7 -4.4 118 118 A L H X S+ 0 0 28 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.935 106.7 49.7 -58.3 -46.0 24.0 6.8 -1.6 119 119 A R H X S+ 0 0 152 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.913 110.6 50.0 -61.6 -40.2 21.6 5.3 -4.1 120 120 A M H <>S+ 0 0 32 -4,-1.7 5,-2.2 2,-0.2 -1,-0.2 0.882 111.5 48.3 -65.2 -40.2 24.5 4.3 -6.3 121 121 A L H ><5S+ 0 0 5 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.935 108.7 54.2 -65.7 -40.2 26.3 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 92 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.914 110.0 46.9 -60.8 -38.0 23.2 0.9 -2.4 123 123 A Q T 3<5S- 0 0 70 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.436 113.2-121.9 -82.5 -0.9 22.9 -0.5 -5.8 124 124 A K T < 5 + 0 0 97 -3,-2.0 2,-1.5 -4,-0.2 -3,-0.2 0.733 61.1 146.9 65.7 30.0 26.6 -1.5 -5.8 125 125 A R >< + 0 0 117 -5,-2.2 4,-2.3 1,-0.2 5,-0.2 -0.666 23.0 176.6 -93.8 77.4 27.5 0.5 -8.9 126 126 A W H > + 0 0 50 -2,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.880 67.7 45.3 -55.5 -50.6 31.0 1.3 -7.6 127 127 A D H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 114.7 49.5 -65.9 -36.9 32.7 3.2 -10.3 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.912 109.9 49.8 -68.3 -39.8 29.7 5.3 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-3.5 2,-0.2 -1,-0.2 0.885 108.7 54.9 -62.3 -37.8 29.4 6.2 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.906 109.6 46.3 -63.0 -43.2 33.0 7.1 -7.2 131 131 A V H X S+ 0 0 95 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.939 114.3 46.8 -65.1 -47.2 32.6 9.4 -10.0 132 132 A N H >< S+ 0 0 39 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.935 106.9 57.8 -62.4 -41.2 29.5 11.0 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.5 6,-0.3 1,-0.3 -1,-0.2 0.851 101.1 58.6 -57.0 -33.1 31.1 11.3 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.2 2,-1.9 -3,-0.4 -1,-0.3 0.671 84.5 80.3 -72.6 -19.0 33.9 13.4 -6.5 135 135 A K S << S+ 0 0 167 -3,-1.5 2,-0.3 -4,-0.6 -1,-0.2 -0.592 81.3 98.0 -87.1 69.5 31.5 16.0 -7.8 136 136 A S S > S- 0 0 20 -2,-1.9 4,-1.9 1,-0.1 5,-0.2 -0.990 84.6-116.8-155.3 156.8 31.3 17.7 -4.4 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.918 114.6 62.8 -58.3 -42.3 32.6 20.5 -2.3 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.922 105.8 44.1 -46.6 -50.5 34.1 17.8 0.0 139 139 A Y H 4 S+ 0 0 54 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 113.6 49.5 -67.4 -41.3 36.3 16.5 -2.7 140 140 A N H < S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.821 116.3 42.4 -70.3 -29.1 37.4 20.0 -3.9 141 141 A Q H < S+ 0 0 98 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 130.3 21.7 -84.8 -41.8 38.3 21.1 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 -0.569 73.5 162.8-128.1 70.4 40.0 18.0 0.9 143 143 A P H > + 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.861 69.0 49.5 -56.2 -47.5 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.947 115.8 42.5 -67.0 -42.1 43.7 13.7 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.945 114.3 50.9 -66.8 -48.0 41.5 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.914 107.3 55.6 -54.6 -42.9 38.4 12.3 -0.3 147 147 A K H X S+ 0 0 100 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.891 108.2 48.0 -55.8 -44.2 40.5 10.3 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.923 114.5 44.1 -66.6 -40.9 41.4 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.938 114.0 51.0 -68.6 -43.0 37.8 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.4 4,-2.2 -5,-0.2 -1,-0.2 0.876 108.5 51.4 -58.5 -41.9 36.5 7.2 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.3 4,-2.7 -5,-0.2 6,-0.4 0.850 107.1 55.3 -65.0 -34.0 39.0 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.913 110.5 43.1 -65.0 -43.2 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 6 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.891 115.0 52.3 -72.5 -33.1 34.2 2.6 -1.7 154 154 A R H < S+ 0 0 104 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.920 124.6 22.0 -63.1 -47.8 35.4 1.9 -5.2 155 155 A T H < S- 0 0 47 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.638 86.2-133.4 -96.0 -27.5 37.4 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.741 74.7 101.6 75.4 20.1 36.2 -2.5 -1.1 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.835 79.7-120.6-130.0 171.8 39.9 -2.7 0.0 158 158 A W S > S+ 0 0 45 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 0.168 71.3 121.3 -94.8 16.7 42.3 -0.7 2.2 159 159 A D G > + 0 0 92 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.846 69.0 57.0 -50.7 -38.5 44.8 -0.1 -0.6 160 160 A A G 3 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.725 106.4 52.4 -64.8 -21.6 44.5 3.7 -0.3 161 161 A Y G < 0 0 18 -3,-1.9 -1,-0.3 -13,-0.1 -2,-0.2 0.427 360.0 360.0 -97.2 3.7 45.6 3.4 3.3 162 162 A K < 0 0 174 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.839 360.0 360.0-110.2 360.0 48.7 1.3 2.7